BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50012463   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50084631
PNG
(CHEMBL3427203)
Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50096276
PNG
(CHEMBL1235806)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C12H6N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H2,13,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents
PDB
Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50057564
PNG
(4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557782
PNG
(CHEMBL4800072)
Show SMILES Nc1cc(nn1-c1ccc(cc1)C(O)=O)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557783
PNG
(CHEMBL4784073)
Show SMILES COC(=O)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557782
PNG
(CHEMBL4800072)
Show SMILES Nc1cc(nn1-c1ccc(cc1)C(O)=O)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557783
PNG
(CHEMBL4784073)
Show SMILES COC(=O)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557784
PNG
(CHEMBL4797035)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1N=[N+]=[N-])-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557784
PNG
(CHEMBL4797035)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1N=[N+]=[N-])-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50033277
PNG
(CHEMBL3357103)
Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9|
Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557785
PNG
(CHEMBL4758829)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1-n1cc(CNc2ccc([N+]([O-])=O)c3nonc23)nn1)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557785
PNG
(CHEMBL4758829)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1-n1cc(CNc2ccc([N+]([O-])=O)c3nonc23)nn1)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557781
PNG
(CHEMBL4788232)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557780
PNG
(CHEMBL4755592)
Show SMILES COc1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557778
PNG
(CHEMBL4745938)
Show SMILES Nc1cc(nn1-c1ccc(F)cc1)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557781
PNG
(CHEMBL4788232)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50084631
PNG
(CHEMBL3427203)
Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557779
PNG
(CHEMBL4761793)
Show SMILES Nc1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557778
PNG
(CHEMBL4745938)
Show SMILES Nc1cc(nn1-c1ccc(F)cc1)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557780
PNG
(CHEMBL4755592)
Show SMILES COc1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557777
PNG
(CHEMBL4757602)
Show SMILES Nc1cc(nn1-c1ccccc1)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50557777
PNG
(CHEMBL4757602)
Show SMILES Nc1cc(nn1-c1ccccc1)-c1ccco1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50096276
PNG
(CHEMBL1235806)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C12H6N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H2,13,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents
Article
PubMed
n/an/a 1.77E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50557779
PNG
(CHEMBL4761793)
Show SMILES Nc1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50033277
PNG
(CHEMBL3357103)
Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9|
Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50057564
PNG
(4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.55E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557780
PNG
(CHEMBL4755592)
Show SMILES COc1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.56E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.09E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557784
PNG
(CHEMBL4797035)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1N=[N+]=[N-])-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557783
PNG
(CHEMBL4784073)
Show SMILES COC(=O)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557782
PNG
(CHEMBL4800072)
Show SMILES Nc1cc(nn1-c1ccc(cc1)C(O)=O)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557781
PNG
(CHEMBL4788232)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557785
PNG
(CHEMBL4758829)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(cc1-n1cc(CNc2ccc([N+]([O-])=O)c3nonc23)nn1)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557778
PNG
(CHEMBL4745938)
Show SMILES Nc1cc(nn1-c1ccc(F)cc1)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557777
PNG
(CHEMBL4757602)
Show SMILES Nc1cc(nn1-c1ccccc1)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant ovine COX1

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50557779
PNG
(CHEMBL4761793)
Show SMILES Nc1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human COX2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair